N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine

C21H18ClN7O — CID 53320600

IUPACN-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
SMILESNCCCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12
InChIInChI=1S/C21H18ClN7O/c22-13-4-5-14(17-15(3-1-7-23)28-29-19(13)17)27-18-12-6-10-24-11-16(12)30-20(18)21-25-8-2-9-26-21/h2,4-6,8-11,27H,1,3,7,23H2,(H,28,29)
InChIKeyWJWJAKINFQRTRI-UHFFFAOYSA-N
MW419.88 g/mol
LogP4.45
Rot. Bonds6

About N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine

N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine (PubChem CID 53320600) has the molecular formula C21H18ClN7O and a molecular weight of 419.88 g/mol. Its IUPAC name is N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
PubChem CID53320600
Molecular FormulaC21H18ClN7O
Molecular Weight419.88 g/mol
Exact Mass419.13
IUPAC NameN-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
SMILESNCCCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12
InChIInChI=1S/C21H18ClN7O/c22-13-4-5-14(17-15(3-1-7-23)28-29-19(13)17)27-18-12-6-10-24-11-16(12)30-20(18)21-25-8-2-9-26-21/h2,4-6,8-11,27H,1,3,7,23H2,(H,28,29)
InChIKeyWJWJAKINFQRTRI-UHFFFAOYSA-N
XLogP4.45
TPSA118.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The IUPAC name of N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine (CID 53320600) is N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The canonical SMILES for N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine is NCCCc1[nH]nc2c(Cl)ccc(Nc3c(-c4ncccn4)oc4cnccc34)c12.
What is the InChIKey of N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The InChIKey is WJWJAKINFQRTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O/c22-13-4-5-14(17-15(3-1-7-23)28-29-19(13)17)27-18-12-6-10-24-11-16(12)30-20(18)21-25-8-2-9-26-21/h2,4-6,8-11,27H,1,3,7,23H2,(H,28,29).
What are the key properties of N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine has a molecular weight of 419.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropyl)-7-chloro-2H-indazol-4-yl]-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine is sourced from PubChem (CID 53320600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).