1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen

C22H30N6O2 — CID 170769613

IUPAC1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CCCNC4)n3)n2cc1N1CCCC1=O.[H][H].[H][H]
InChIInChI=1S/C22H26N6O2.2H2/c1-30-19-11-21-24-13-17(28(21)14-18(19)27-10-4-8-22(27)29)16-6-2-7-20(26-16)25-15-5-3-9-23-12-15;;/h2,6-7,11,13-15,23H,3-5,8-10,12H2,1H3,(H,25,26);2*1H/t15-;;/m0../s1
InChIKeyJICJRPFPOMKPGS-CKUXDGONSA-N
MW410.52 g/mol
LogP3.19
Rot. Bonds5

About 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen

1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen (PubChem CID 170769613) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen.

Molecular Properties

Compound Name1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen
PubChem CID170769613
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CCCNC4)n3)n2cc1N1CCCC1=O.[H][H].[H][H]
InChIInChI=1S/C22H26N6O2.2H2/c1-30-19-11-21-24-13-17(28(21)14-18(19)27-10-4-8-22(27)29)16-6-2-7-20(26-16)25-15-5-3-9-23-12-15;;/h2,6-7,11,13-15,23H,3-5,8-10,12H2,1H3,(H,25,26);2*1H/t15-;;/m0../s1
InChIKeyJICJRPFPOMKPGS-CKUXDGONSA-N
XLogP3.19
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
CID 169129571
1-[3-[6-[(4-fluoropyrrolidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
CID 169129615
1-[3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one
CID 164560997
2-[7-methoxy-3-[6-(pyrrolidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961740
N-[(3R)-piperidin-3-yl]-6-(6-propan-2-yloxyimidazo[1,2-a]pyrazin-3-yl)pyridin-2-amine
CID 164561154
ethane;1-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-6-yl]pyrrolidin-2-one
CID 167450026
6-[6-(2,3-dihydropyridin-5-yl)-7-methoxyimidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 155441890
6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-(5-methylpiperidin-3-yl)pyridin-2-amine
CID 169129461
2-[3-[6-[[(5S)-5-fluoropiperidin-3-yl]amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 166961630
2-[3-[6-[(5-fluoropiperidin-3-yl)amino]-2-pyridinyl]-7-methoxyimidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 169129789
1,1,1-trifluoro-2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 167449935
6-(6-cyclopropyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[(2S,4S)-2-methylpiperidin-4-yl]pyridin-2-amine
CID 166961670

Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen?
The IUPAC name of 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen (CID 170769613) is 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen.
What is the SMILES notation for 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen?
The canonical SMILES for 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen is COc1cc2ncc(-c3cccc(N[C@H]4CCCNC4)n3)n2cc1N1CCCC1=O.[H][H].[H][H].
What is the InChIKey of 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen?
The InChIKey is JICJRPFPOMKPGS-CKUXDGONSA-N. The full InChI is InChI=1S/C22H26N6O2.2H2/c1-30-19-11-21-24-13-17(28(21)14-18(19)27-10-4-8-22(27)29)16-6-2-7-20(26-16)25-15-5-3-9-23-12-15;;/h2,6-7,11,13-15,23H,3-5,8-10,12H2,1H3,(H,25,26);2*1H/t15-;;/m0../s1.
What are the key properties of 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen?
1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen has a molecular weight of 410.52 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;molecular hydrogen is sourced from PubChem (CID 170769613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).