(5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde

C73H98Cl2N6O2Si2 — CID 158801180

IUPAC(5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C(O)C3CC[C@@H](N(Cc4ccccc4)Cc4ccccc4)C3)c(Cl)cnc21.Cc1c(Cl)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C.O=CC1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C36H48ClN3OSi.C20H23NO.C17H27ClN2Si/c1-25(2)42(26(3)4,27(5)6)40-20-19-32-34(33(37)22-38-36(32)40)35(41)30-17-18-31(21-30)39(23-28-13-9-7-10-14-28)24-29-15-11-8-12-16-29;22-16-19-11-12-20(13-19)21(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18;1-11(2)21(12(3)4,13(5)6)20-9-8-15-14(7)16(18)10-19-17(15)20/h7-16,19-20,22,25-27,30-31,35,41H,17-18,21,23-24H2,1-6H3;1-10,16,19-20H,11-15H2;8-13H,1-7H3/t30?,31-,35?;19?,20-;/m11./s1
InChIKeyITMUWOKLLQZQSQ-RAAQHLEWSA-N
MW1218.70 g/mol
LogP19.70
Rot. Bonds21

About (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde

(5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde (PubChem CID 158801180) has the molecular formula C73H98Cl2N6O2Si2 and a molecular weight of 1218.70 g/mol. Its IUPAC name is (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name(5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde
PubChem CID158801180
Molecular FormulaC73H98Cl2N6O2Si2
Molecular Weight1218.70 g/mol
Exact Mass1216.67
IUPAC Name(5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C(O)C3CC[C@@H](N(Cc4ccccc4)Cc4ccccc4)C3)c(Cl)cnc21.Cc1c(Cl)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C.O=CC1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C36H48ClN3OSi.C20H23NO.C17H27ClN2Si/c1-25(2)42(26(3)4,27(5)6)40-20-19-32-34(33(37)22-38-36(32)40)35(41)30-17-18-31(21-30)39(23-28-13-9-7-10-14-28)24-29-15-11-8-12-16-29;22-16-19-11-12-20(13-19)21(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18;1-11(2)21(12(3)4,13(5)6)20-9-8-15-14(7)16(18)10-19-17(15)20/h7-16,19-20,22,25-27,30-31,35,41H,17-18,21,23-24H2,1-6H3;1-10,16,19-20H,11-15H2;8-13H,1-7H3/t30?,31-,35?;19?,20-;/m11./s1
InChIKeyITMUWOKLLQZQSQ-RAAQHLEWSA-N
XLogP19.70
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001218.70
LogP ≤ 519.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde?
The IUPAC name of (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde (CID 158801180) is (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde.
What is the SMILES notation for (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde?
The canonical SMILES for (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C(O)C3CC[C@@H](N(Cc4ccccc4)Cc4ccccc4)C3)c(Cl)cnc21.Cc1c(Cl)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C.O=CC1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde?
The InChIKey is ITMUWOKLLQZQSQ-RAAQHLEWSA-N. The full InChI is InChI=1S/C36H48ClN3OSi.C20H23NO.C17H27ClN2Si/c1-25(2)42(26(3)4,27(5)6)40-20-19-32-34(33(37)22-38-36(32)40)35(41)30-17-18-31(21-30)39(23-28-13-9-7-10-14-28)24-29-15-11-8-12-16-29;22-16-19-11-12-20(13-19)21(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18;1-11(2)21(12(3)4,13(5)6)20-9-8-15-14(7)16(18)10-19-17(15)20/h7-16,19-20,22,25-27,30-31,35,41H,17-18,21,23-24H2,1-6H3;1-10,16,19-20H,11-15H2;8-13H,1-7H3/t30?,31-,35?;19?,20-;/m11./s1.
What are the key properties of (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde?
(5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde has a molecular weight of 1218.70 g/mol, XLogP of 19.70, 21 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;[5-chloro-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]-[(3R)-3-(dibenzylamino)cyclopentyl]methanol;(3R)-3-(dibenzylamino)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 158801180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).