7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide

C21H19ClN6O2 — CID 71233868

IUPAC7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(Nc3nccc(-c4cc(COC)ccn4)n3)cc(Cl)c2[nH]1
InChIInChI=1S/C21H19ClN6O2/c1-23-20(29)18-9-13-8-14(10-15(22)19(13)27-18)26-21-25-6-4-16(28-21)17-7-12(11-30-2)3-5-24-17/h3-10,27H,11H2,1-2H3,(H,23,29)(H,25,26,28)
InChIKeyUMMQEVUKWGPWCP-UHFFFAOYSA-N
MW422.88 g/mol
LogP3.92
Rot. Bonds6

About 7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide

7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide (PubChem CID 71233868) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is 7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide
PubChem CID71233868
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC Name7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cc(Nc3nccc(-c4cc(COC)ccn4)n3)cc(Cl)c2[nH]1
InChIInChI=1S/C21H19ClN6O2/c1-23-20(29)18-9-13-8-14(10-15(22)19(13)27-18)26-21-25-6-4-16(28-21)17-7-12(11-30-2)3-5-24-17/h3-10,27H,11H2,1-2H3,(H,23,29)(H,25,26,28)
InChIKeyUMMQEVUKWGPWCP-UHFFFAOYSA-N
XLogP3.92
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide (CID 71233868) is 7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide is CNC(=O)c1cc2cc(Nc3nccc(-c4cc(COC)ccn4)n3)cc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is UMMQEVUKWGPWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6O2/c1-23-20(29)18-9-13-8-14(10-15(22)19(13)27-18)26-21-25-6-4-16(28-21)17-7-12(11-30-2)3-5-24-17/h3-10,27H,11H2,1-2H3,(H,23,29)(H,25,26,28).
What are the key properties of 7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide?
7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 422.88 g/mol, XLogP of 3.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71233868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).