1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one

C22H24N8O — CID 177336126

IUPAC1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4ccc5c(ccn5C)c4=O)cn3)C2)nn1
InChIInChI=1S/C22H24N8O/c1-14-12-24-22(28-27-14)26-16-4-3-15(11-16)25-20-6-5-17(13-23-20)30-10-8-19-18(21(30)31)7-9-29(19)2/h5-10,12-13,15-16H,3-4,11H2,1-2H3,(H,23,25)(H,24,26,28)/t15-,16-/m0/s1
InChIKeyIZVVFBULGOZMLB-HOTGVXAUSA-N
MW416.49 g/mol
LogP2.66
Rot. Bonds5

About 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one

1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one (PubChem CID 177336126) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one
PubChem CID177336126
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one
SMILESCc1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4ccc5c(ccn5C)c4=O)cn3)C2)nn1
InChIInChI=1S/C22H24N8O/c1-14-12-24-22(28-27-14)26-16-4-3-15(11-16)25-20-6-5-17(13-23-20)30-10-8-19-18(21(30)31)7-9-29(19)2/h5-10,12-13,15-16H,3-4,11H2,1-2H3,(H,23,25)(H,24,26,28)/t15-,16-/m0/s1
InChIKeyIZVVFBULGOZMLB-HOTGVXAUSA-N
XLogP2.66
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one (CID 177336126) is 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one is Cc1cnc(N[C@H]2CC[C@H](Nc3ccc(-n4ccc5c(ccn5C)c4=O)cn3)C2)nn1.
What is the InChIKey of 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is IZVVFBULGOZMLB-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H24N8O/c1-14-12-24-22(28-27-14)26-16-4-3-15(11-16)25-20-6-5-17(13-23-20)30-10-8-19-18(21(30)31)7-9-29(19)2/h5-10,12-13,15-16H,3-4,11H2,1-2H3,(H,23,25)(H,24,26,28)/t15-,16-/m0/s1.
What are the key properties of 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one?
1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 416.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[6-[[(1S,3S)-3-[(6-methyl-1,2,4-triazin-3-yl)amino]cyclopentyl]amino]-3-pyridinyl]pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 177336126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).