(4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone

C19H22N6O — CID 56645393

IUPAC(4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone
SMILESCc1c[nH]c(C(=O)N2CCCN(c3ncnc4[nH]ccc34)CC23CC3)c1
InChIInChI=1S/C19H22N6O/c1-13-9-15(21-10-13)18(26)25-8-2-7-24(11-19(25)4-5-19)17-14-3-6-20-16(14)22-12-23-17/h3,6,9-10,12,21H,2,4-5,7-8,11H2,1H3,(H,20,22,23)
InChIKeyYYAMEIPEECDPFU-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.48
Rot. Bonds2

About (4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone

(4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone (PubChem CID 56645393) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is (4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone
PubChem CID56645393
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name(4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone
SMILESCc1c[nH]c(C(=O)N2CCCN(c3ncnc4[nH]ccc34)CC23CC3)c1
InChIInChI=1S/C19H22N6O/c1-13-9-15(21-10-13)18(26)25-8-2-7-24(11-19(25)4-5-19)17-14-3-6-20-16(14)22-12-23-17/h3,6,9-10,12,21H,2,4-5,7-8,11H2,1H3,(H,20,22,23)
InChIKeyYYAMEIPEECDPFU-UHFFFAOYSA-N
XLogP2.48
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ribociclib
CID 44631912
[4-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl][(2s)-1-(Propan-2-Yl)pyrrolidin-2-Yl]methanone
CID 53341544
5-methyl-2-[(1S)-1-[[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73775931
7-Cyclopentyl-2-({1-Methyl-5-[(4-Methylpiperazin-1-Yl)carbonyl]-1h-Pyrrol-3-Yl}amino)-7h-Pyrrolo[2,3-D]pyrimidine-6-Carboxamide
CID 57383477
Pyrrolo[2,3-d]pyrimidine derivative 9
CID 44818950
N-ethyl-4-[2-(2-methoxypropan-2-yl)pyrrolidin-1-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137631775
N-ethyl-4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137634895
N-cyclopropyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137641136
N-(oxetan-3-yl)-4-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137645843
N-(oxetan-3-yl)-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137655665
N-ethyl-4-(2-phenylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137656009
N-ethyl-4-(2-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 137661938

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone?
The IUPAC name of (4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone (CID 56645393) is (4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone.
What is the SMILES notation for (4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone?
The canonical SMILES for (4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone is Cc1c[nH]c(C(=O)N2CCCN(c3ncnc4[nH]ccc34)CC23CC3)c1.
What is the InChIKey of (4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone?
The InChIKey is YYAMEIPEECDPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-9-15(21-10-13)18(26)25-8-2-7-24(11-19(25)4-5-19)17-14-3-6-20-16(14)22-12-23-17/h3,6,9-10,12,21H,2,4-5,7-8,11H2,1H3,(H,20,22,23).
What are the key properties of (4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone?
(4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone has a molecular weight of 350.43 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1H-pyrrol-2-yl)-[8-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,8-diazaspiro[2.6]nonan-4-yl]methanone is sourced from PubChem (CID 56645393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).