(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone

C20H21N5O — CID 163305444

IUPAC(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)c3ccc4cc[nH]c4n3)C1)CC2
InChIInChI=1S/C20H21N5O/c1-13-22-11-15-5-8-20(17(15)23-13)7-2-10-25(12-20)19(26)16-4-3-14-6-9-21-18(14)24-16/h3-4,6,9,11H,2,5,7-8,10,12H2,1H3,(H,21,24)
InChIKeyHWAVLFJGIIWKPZ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.78
Rot. Bonds1

About (2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone

(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone (PubChem CID 163305444) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
PubChem CID163305444
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCc1ncc2c(n1)C1(CCCN(C(=O)c3ccc4cc[nH]c4n3)C1)CC2
InChIInChI=1S/C20H21N5O/c1-13-22-11-15-5-8-20(17(15)23-13)7-2-10-25(12-20)19(26)16-4-3-14-6-9-21-18(14)24-16/h3-4,6,9,11H,2,5,7-8,10,12H2,1H3,(H,21,24)
InChIKeyHWAVLFJGIIWKPZ-UHFFFAOYSA-N
XLogP2.78
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The IUPAC name of (2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone (CID 163305444) is (2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone.
What is the SMILES notation for (2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The canonical SMILES for (2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone is Cc1ncc2c(n1)C1(CCCN(C(=O)c3ccc4cc[nH]c4n3)C1)CC2.
What is the InChIKey of (2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The InChIKey is HWAVLFJGIIWKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-22-11-15-5-8-20(17(15)23-13)7-2-10-25(12-20)19(26)16-4-3-14-6-9-21-18(14)24-16/h3-4,6,9,11H,2,5,7-8,10,12H2,1H3,(H,21,24).
What are the key properties of (2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone is sourced from PubChem (CID 163305444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).