1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine

C25H25N5O — CID 68826736

IUPAC1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESc1ccc2c(c1)CC[C@H]2n1ncc2cnc(Nc3ccc(N4CCOCC4)cc3)cc21
InChIInChI=1S/C25H25N5O/c1-2-4-22-18(3-1)5-10-23(22)30-24-15-25(26-16-19(24)17-27-30)28-20-6-8-21(9-7-20)29-11-13-31-14-12-29/h1-4,6-9,15-17,23H,5,10-14H2,(H,26,28)/t23-/m1/s1
InChIKeyPFJDBKVZYQGEAZ-HSZRJFAPSA-N
MW411.51 g/mol
LogP4.55
Rot. Bonds4

About 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine

1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 68826736) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

Compound Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine
PubChem CID68826736
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine
SMILESc1ccc2c(c1)CC[C@H]2n1ncc2cnc(Nc3ccc(N4CCOCC4)cc3)cc21
InChIInChI=1S/C25H25N5O/c1-2-4-22-18(3-1)5-10-23(22)30-24-15-25(26-16-19(24)17-27-30)28-20-6-8-21(9-7-20)29-11-13-31-14-12-29/h1-4,6-9,15-17,23H,5,10-14H2,(H,26,28)/t23-/m1/s1
InChIKeyPFJDBKVZYQGEAZ-HSZRJFAPSA-N
XLogP4.55
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyl-7-(4-morpholin-4-ylanilino)-1,6-naphthyridin-2-one
CID 46701508
1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
CID 141212767
N-(4-morpholin-4-ylphenyl)-2-phenylpyrido[3,4-b]pyrazin-7-amine
CID 127031677
2-N-(4-morpholin-4-ylphenyl)pyridine-2,4-diamine
CID 63179153
4-[[1-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N'-hydroxybenzenecarboximidamide
CID 91453622
4-(benzylamino)-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 46218740
4-morpholin-4-yl-N-phenylaniline
CID 159018746
7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
CID 70209396
6-chloro-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
CID 60674960
4-(5-amino-1-methylpyrazol-4-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 117078839
4-[(4-fluorophenyl)methylamino]-6-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 58450651
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 46701507

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine?
The IUPAC name of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine (CID 68826736) is 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine.
What is the SMILES notation for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine?
The canonical SMILES for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine is c1ccc2c(c1)CC[C@H]2n1ncc2cnc(Nc3ccc(N4CCOCC4)cc3)cc21.
What is the InChIKey of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine?
The InChIKey is PFJDBKVZYQGEAZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25N5O/c1-2-4-22-18(3-1)5-10-23(22)30-24-15-25(26-16-19(24)17-27-30)28-20-6-8-21(9-7-20)29-11-13-31-14-12-29/h1-4,6-9,15-17,23H,5,10-14H2,(H,26,28)/t23-/m1/s1.
What are the key properties of 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine?
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 411.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(4-morpholin-4-ylphenyl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 68826736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).