[[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane

C18H18ClN7P2 — CID 170390602

IUPAC[[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane
SMILESPC(P)c1cccn2nc([C@@H]3c4nc[nH]c4CCN3c3cncc(Cl)n3)cc12
InChIInChI=1S/C18H18ClN7P2/c19-14-7-20-8-15(23-14)25-5-3-11-16(22-9-21-11)17(25)12-6-13-10(18(27)28)2-1-4-26(13)24-12/h1-2,4,6-9,17-18H,3,5,27-28H2,(H,21,22)/t17-/m1/s1
InChIKeyYHFUEUAWOZQFFC-QGZVFWFLSA-N
MW429.79 g/mol
LogP3.40
Rot. Bonds3

About [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane

[[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane (PubChem CID 170390602) has the molecular formula C18H18ClN7P2 and a molecular weight of 429.79 g/mol. Its IUPAC name is [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane.

Molecular Properties

Compound Name[[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane
PubChem CID170390602
Molecular FormulaC18H18ClN7P2
Molecular Weight429.79 g/mol
Exact Mass429.08
IUPAC Name[[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane
SMILESPC(P)c1cccn2nc([C@@H]3c4nc[nH]c4CCN3c3cncc(Cl)n3)cc12
InChIInChI=1S/C18H18ClN7P2/c19-14-7-20-8-15(23-14)25-5-3-11-16(22-9-21-11)17(25)12-6-13-10(18(27)28)2-1-4-26(13)24-12/h1-2,4,6-9,17-18H,3,5,27-28H2,(H,21,22)/t17-/m1/s1
InChIKeyYHFUEUAWOZQFFC-QGZVFWFLSA-N
XLogP3.40
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane with MolForge

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Related Compounds

4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-5-pyrazin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 170332266
(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 169165758
2-[(4R)-4-(4-chloropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-5-amine
CID 169164776
(4R)-4-pyrazolo[1,5-a]pyridin-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 176928322
2-[(4R)-4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-methyl-1,3,4-oxadiazole
CID 169165373
3-amino-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazine-2-carbonitrile
CID 176928285
(S)-[5-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrazin-2-yl]-phenylmethanol
CID 177070241
2-[(4S)-4-(4-propan-2-ylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 169165231
2-methyl-6-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile
CID 176928797
2-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 170332789
2-[4-[4-(difluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 170333365
2-[6-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridinyl]-2-methylpropanenitrile
CID 176928541

Frequently Asked Questions

What is the IUPAC name of [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane?
The IUPAC name of [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane (CID 170390602) is [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane.
What is the SMILES notation for [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane?
The canonical SMILES for [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane is PC(P)c1cccn2nc([C@@H]3c4nc[nH]c4CCN3c3cncc(Cl)n3)cc12.
What is the InChIKey of [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane?
The InChIKey is YHFUEUAWOZQFFC-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H18ClN7P2/c19-14-7-20-8-15(23-14)25-5-3-11-16(22-9-21-11)17(25)12-6-13-10(18(27)28)2-1-4-26(13)24-12/h1-2,4,6-9,17-18H,3,5,27-28H2,(H,21,22)/t17-/m1/s1.
What are the key properties of [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane?
[[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane has a molecular weight of 429.79 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[(4S)-5-(6-chloropyrazin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-phosphanylmethyl]phosphane is sourced from PubChem (CID 170390602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).