3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol

C21H17ClN6O2 — CID 53323290

IUPAC3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol
SMILESOCCCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12
InChIInChI=1S/C21H17ClN6O2/c22-13-4-5-14(17-15(3-1-10-29)27-28-19(13)17)26-18-12-6-9-23-11-16(12)30-20(18)21-24-7-2-8-25-21/h2,4-9,11,26,29H,1,3,10H2,(H,27,28)
InChIKeyGJPGNFNVUJLBQZ-UHFFFAOYSA-N
MW420.86 g/mol
LogP4.48
Rot. Bonds6

About 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol

3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol (PubChem CID 53323290) has the molecular formula C21H17ClN6O2 and a molecular weight of 420.86 g/mol. Its IUPAC name is 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol
PubChem CID53323290
Molecular FormulaC21H17ClN6O2
Molecular Weight420.86 g/mol
Exact Mass420.11
IUPAC Name3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol
SMILESOCCCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12
InChIInChI=1S/C21H17ClN6O2/c22-13-4-5-14(17-15(3-1-10-29)27-28-19(13)17)26-18-12-6-9-23-11-16(12)30-20(18)21-24-7-2-8-25-21/h2,4-9,11,26,29H,1,3,10H2,(H,27,28)
InChIKeyGJPGNFNVUJLBQZ-UHFFFAOYSA-N
XLogP4.48
TPSA112.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol?
The IUPAC name of 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol (CID 53323290) is 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol.
What is the SMILES notation for 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol?
The canonical SMILES for 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol is OCCCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12.
What is the InChIKey of 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol?
The InChIKey is GJPGNFNVUJLBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O2/c22-13-4-5-14(17-15(3-1-10-29)27-28-19(13)17)26-18-12-6-9-23-11-16(12)30-20(18)21-24-7-2-8-25-21/h2,4-9,11,26,29H,1,3,10H2,(H,27,28).
What are the key properties of 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol?
3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol has a molecular weight of 420.86 g/mol, XLogP of 4.48, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-chloro-4-[(2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-yl)amino]-2H-indazol-3-yl]propan-1-ol is sourced from PubChem (CID 53323290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).