5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one

C34H31FN6O2 — CID 166709767

IUPAC5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one
SMILESCc1c(-c2cc3ccc(-c4ccc5c(c4)C=NC5=O)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C34H31FN6O2/c1-19-29-9-7-24(34(43)39-17-26(35)13-27(36)18-39)16-41(29)38-32(19)31-12-23-5-4-22(11-30(23)40(31)15-20-2-3-20)21-6-8-28-25(10-21)14-37-33(28)42/h4-12,14,16,20,26-27H,2-3,13,15,17-18,36H2,1H3/t26-,27-/m1/s1
InChIKeySPAVFFDPGSTJQY-KAYWLYCHSA-N
MW574.66 g/mol
LogP5.43
Rot. Bonds5

About 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one

5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one (PubChem CID 166709767) has the molecular formula C34H31FN6O2 and a molecular weight of 574.66 g/mol. Its IUPAC name is 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one.

Molecular Properties

Compound Name5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one
PubChem CID166709767
Molecular FormulaC34H31FN6O2
Molecular Weight574.66 g/mol
Exact Mass574.25
IUPAC Name5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one
SMILESCc1c(-c2cc3ccc(-c4ccc5c(c4)C=NC5=O)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C34H31FN6O2/c1-19-29-9-7-24(34(43)39-17-26(35)13-27(36)18-39)16-41(29)38-32(19)31-12-23-5-4-22(11-30(23)40(31)15-20-2-3-20)21-6-8-28-25(10-21)14-37-33(28)42/h4-12,14,16,20,26-27H,2-3,13,15,17-18,36H2,1H3/t26-,27-/m1/s1
InChIKeySPAVFFDPGSTJQY-KAYWLYCHSA-N
XLogP5.43
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.66
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one?
The IUPAC name of 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one (CID 166709767) is 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one.
What is the SMILES notation for 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one?
The canonical SMILES for 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one is Cc1c(-c2cc3ccc(-c4ccc5c(c4)C=NC5=O)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one?
The InChIKey is SPAVFFDPGSTJQY-KAYWLYCHSA-N. The full InChI is InChI=1S/C34H31FN6O2/c1-19-29-9-7-24(34(43)39-17-26(35)13-27(36)18-39)16-41(29)38-32(19)31-12-23-5-4-22(11-30(23)40(31)15-20-2-3-20)21-6-8-28-25(10-21)14-37-33(28)42/h4-12,14,16,20,26-27H,2-3,13,15,17-18,36H2,1H3/t26-,27-/m1/s1.
What are the key properties of 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one?
5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one has a molecular weight of 574.66 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]isoindol-1-one is sourced from PubChem (CID 166709767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).