1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C26H25ClN6O2 — CID 177114877

IUPAC1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccccc1C1(N(Cc2cc3cnccc3[nH]2)c2nc(Cl)c3n(c2=O)C(C(N)=O)CC3)CC1
InChIInChI=1S/C26H25ClN6O2/c1-15-4-2-3-5-18(15)26(9-10-26)32(14-17-12-16-13-29-11-8-19(16)30-17)24-25(35)33-20(22(27)31-24)6-7-21(33)23(28)34/h2-5,8,11-13,21,30H,6-7,9-10,14H2,1H3,(H2,28,34)
InChIKeyALFOEJBYQUMIIK-UHFFFAOYSA-N
MW488.98 g/mol
LogP3.75
Rot. Bonds6

About 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 177114877) has the molecular formula C26H25ClN6O2 and a molecular weight of 488.98 g/mol. Its IUPAC name is 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID177114877
Molecular FormulaC26H25ClN6O2
Molecular Weight488.98 g/mol
Exact Mass488.17
IUPAC Name1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESCc1ccccc1C1(N(Cc2cc3cnccc3[nH]2)c2nc(Cl)c3n(c2=O)C(C(N)=O)CC3)CC1
InChIInChI=1S/C26H25ClN6O2/c1-15-4-2-3-5-18(15)26(9-10-26)32(14-17-12-16-13-29-11-8-19(16)30-17)24-25(35)33-20(22(27)31-24)6-7-21(33)23(28)34/h2-5,8,11-13,21,30H,6-7,9-10,14H2,1H3,(H2,28,34)
InChIKeyALFOEJBYQUMIIK-UHFFFAOYSA-N
XLogP3.75
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 177114877) is 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1ccccc1C1(N(Cc2cc3cnccc3[nH]2)c2nc(Cl)c3n(c2=O)C(C(N)=O)CC3)CC1.
What is the InChIKey of 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is ALFOEJBYQUMIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O2/c1-15-4-2-3-5-18(15)26(9-10-26)32(14-17-12-16-13-29-11-8-19(16)30-17)24-25(35)33-20(22(27)31-24)6-7-21(33)23(28)34/h2-5,8,11-13,21,30H,6-7,9-10,14H2,1H3,(H2,28,34).
What are the key properties of 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 488.98 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[[1-(2-methylphenyl)cyclopropyl]-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 177114877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).